Detailed information for compound 1300838

Basic information

Technical information
  • TDR Targets ID: 1300838
  • Name: 2-(2,6-dimethylmorpholin-4-yl)-4-methylquinol ine
  • MW: 256.343 | Formula: C16H20N2O
  • H donors: 0 H acceptors: 1 LogP: 3.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1OC(C)CN(C1)c1cc(C)c2c(n1)cccc2
  • InChi: 1S/C16H20N2O/c1-11-8-16(17-15-7-5-4-6-14(11)15)18-9-12(2)19-13(3)10-18/h4-8,12-13H,9-10H2,1-3H3
  • InChiKey: QEBPWCVIAFPKFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,6-dimethylmorpholin-4-yl)-4-methyl-quinoline
  • 2-(2,6-dimethyl-4-morpholinyl)-4-methylquinoline
  • T0513-7812
  • Oprea1_599031
  • EU-0076430
  • MLS001018192
  • SMR000354432

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.1471
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.1574 0.21
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.5258 0.6013
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.1574 0.2395
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1313 0.1752
Brugia malayi hypothetical protein 0.0188 0.6455 0.7383
Loa Loa (eye worm) hypothetical protein 0.0155 0.5258 0.6013
Echinococcus multilocularis lamin 0.0025 0.056 0.0747
Schistosoma mansoni intermediate filament proteins 0.0025 0.056 0.0867
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0949 0.1266
Loa Loa (eye worm) hypothetical protein 0.0106 0.3482 0.3982
Loa Loa (eye worm) hypothetical protein 0.0081 0.2588 0.2961
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0659 0.1843
Toxoplasma gondii aldehyde dehydrogenase 0.0172 0.5865 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 1
Brugia malayi Thioredoxin reductase 0.0046 0.1313 0.1502
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1313 0.1933
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.142 0.1895
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.3451 0.5722
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1313 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.2588 0.401
Brugia malayi Latrophilin receptor protein 2 0.0049 0.142 0.1625
Schistosoma mansoni survival motor neuron protein 0.0044 0.1246 0.1931
Echinococcus granulosus intermediate filament protein 0.0025 0.056 0.0747
Plasmodium vivax glutathione reductase, putative 0.0046 0.1313 0.461
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.3876 0.6475
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.3876 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 1
Schistosoma mansoni hypothetical protein 0.0165 0.5625 0.8715
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.1574 0.2395
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.056 0.064
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.5258 0.6013
Echinococcus multilocularis musashi 0.0025 0.056 0.0747
Toxoplasma gondii hypothetical protein 0.0028 0.0659 0.0773
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1313 0.1752
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.5258 0.6013
Echinococcus multilocularis GPCR, family 2 0.0049 0.142 0.1895
Loa Loa (eye worm) glutathione reductase 0.0046 0.1313 0.1502
Echinococcus granulosus GPCR family 2 0.0049 0.142 0.1895
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.2588 0.3453
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0949 0.1471
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.3876 0.6475
Schistosoma mansoni hypothetical protein 0.0165 0.5625 0.8715
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2588 0.4193
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.056 0.064
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1313 0.1502
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.3451 0.5722
Schistosoma mansoni aldehyde dehydrogenase 0.0172 0.5865 0.9087
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0659 0.1843
Loa Loa (eye worm) hypothetical protein 0.0012 0.0069 0.0079
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0069 0.0079
Leishmania major trypanothione reductase 0.0046 0.1313 0.1933
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0223 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.8364 0.9566
Schistosoma mansoni lamin 0.0025 0.056 0.0867
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8743 1
Onchocerca volvulus 0.0036 0.0949 0.0413
Schistosoma mansoni aldehyde dehydrogenase 0.0172 0.5865 0.9087
Loa Loa (eye worm) hypothetical protein 0.0012 0.0069 0.0079
Echinococcus granulosus lamin 0.0025 0.056 0.0747
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.3876 0.6475
Plasmodium falciparum thioredoxin reductase 0.0046 0.1313 0.461
Echinococcus granulosus geminin 0.0165 0.5625 0.7503
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0069 0.0079
Mycobacterium tuberculosis Probable reductase 0.0105 0.3451 0.5722
Loa Loa (eye worm) hypothetical protein 0.0036 0.0949 0.1086
Schistosoma mansoni lamin 0.0025 0.056 0.0867
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0188 0.6455 0.861
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0172 0.5865 1
Brugia malayi Pre-SET motif family protein 0.0251 0.8743 1
Schistosoma mansoni hypothetical protein 0.0049 0.142 0.2201
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0135 0.0154
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.142 0.1625
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0223 0.0297
Loa Loa (eye worm) hypothetical protein 0.0217 0.7497 0.8575
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0012 0.0086 0.0115
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4864 0.5563
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4864 0.5563
Schistosoma mansoni hypothetical protein 0.0044 0.1246 0.1931
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.2588 0.5998
Schistosoma mansoni hypothetical protein 0.0049 0.142 0.2201
Schistosoma mansoni hypothetical protein 0.0049 0.142 0.2201
Brugia malayi Probable ClpP-like protease 0.0081 0.2588 0.2961
Trypanosoma brucei trypanothione reductase 0.0046 0.1313 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.3451 0.868
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.3482 0.3982
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0949 0.1288
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 1
Brugia malayi Serine/threonine-protein kinase SULU 0.0188 0.6455 0.7383
Brugia malayi glutathione reductase 0.0046 0.1313 0.1502
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0172 0.5865 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0949 0.1266
Loa Loa (eye worm) hypothetical protein 0.0025 0.0543 0.0621
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0172 0.5865 0.7823
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0172 0.5865 0.7823
Brugia malayi intermediate filament protein 0.0025 0.056 0.064
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.2588 0.3453
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.1574 0.21
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.1471
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.142 0.1895
Brugia malayi Pre-SET motif family protein 0.0036 0.0949 0.1086
Echinococcus multilocularis lamin dm0 0.0025 0.056 0.0747
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.142 0.1895
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0949 0.1266
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0223 0.0255
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0188 0.6455 0.861
Loa Loa (eye worm) hypothetical protein 0.0025 0.056 0.064
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0659 0.1843
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.3451 0.5722
Mycobacterium ulcerans aldehyde dehydrogenase 0.0172 0.5865 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.142 0.1625
Plasmodium falciparum glutathione reductase 0.0046 0.1313 0.461
Schistosoma mansoni serine/threonine protein kinase 0.0188 0.6455 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.1313 0.1933
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0099
Echinococcus multilocularis geminin 0.0165 0.5625 0.7503
Brugia malayi hypothetical protein 0.0217 0.7497 0.8575
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.142 0.1625
Onchocerca volvulus 0.0044 0.1246 0.0727
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 0.4193
Mycobacterium ulcerans aldehyde dehydrogenase 0.0172 0.5865 1
Schistosoma mansoni hypothetical protein 0.0106 0.3482 0.5394
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0223 0.0297
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0223 0.0345
Plasmodium vivax SET domain protein, putative 0.0036 0.0949 0.3072
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.1574 0.2845
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 0.4193
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.1471
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.3451 0.5722
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.142 0.1895
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.3451 0.5722
Schistosoma mansoni hypothetical protein 0.0049 0.142 0.2201
Brugia malayi follicle stimulating hormone receptor 0.0241 0.8364 0.9566
Echinococcus granulosus lamin dm0 0.0025 0.056 0.0747
Echinococcus granulosus survival motor neuron protein 1 0.0217 0.7497 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1313 0.461
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0188 0.6455 0.7383
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0044 0.1246 0.1425
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.2588 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0135 0.0154
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.2588 1
Brugia malayi MH2 domain containing protein 0.0144 0.4864 0.5563
Mycobacterium ulcerans aldehyde dehydrogenase 0.0172 0.5865 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0901 0.1202
Echinococcus multilocularis survival motor neuron protein 1 0.0217 0.7497 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.2588 0.4193
Loa Loa (eye worm) intermediate filament protein 0.0025 0.056 0.064
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0012 0.0086 0.0115

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0282 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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